SCHEMBL1815237

SCHEMBL1815237

COc1ccc2c(c1)CCc1sc(N)nc1-2

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.97
MAPT P10636 7/20 0.80
KDM4E B2RXH2 4/20 0.80
ALDH1A1 P00352 4/20 0.80
MPI P34949 1/20 0.80
FBP1 P09467 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 2/20 0.59
HTT P42858 1/20 0.58
MEN1 O00255 2/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
DYRK1A Q13627 1/20 0.53
RAB9A P51151 1/20 0.52
ACHE P22303 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL2762927 0.99 ADORA1 (0.95) ADORA1MAPTKDM4EALDH1A1MPI
SCHEMBL12797292 0.92 ADORA1 (0.83) ADORA1MAPTKDM4EALDH1A1MPI
SCHEMBL6885965 0.89 MAPT (1.00) ADORA1MAPTKDM4EALDH1A1MPI
Iodide SCHEMBL3994593 0.86 ADORA1 (1.00) ADORA1MAPTKDM4EALDH1A1MPI
Iodide SCHEMBL3991649 0.82 ADORA1 (0.72) ADORA1MAPTKDM4EALDH1A1MPI
SCHEMBL12797289 0.81 MAPT (0.85) ADORA1MAPTKDM4EALDH1A1MPI
SCHEMBL20641264 0.80 FBP1 (0.66) ADORA1MAPTKDM4EALDH1A1MPI
Iodide SCHEMBL3994783 0.80 ADORA1 (0.69) ADORA1MAPTKDM4EALDH1A1MPI
SCHEMBL2762751 0.80 KDM4E (0.67) ADORA1MAPTKDM4EALDH1A1MPI
Iodide SCHEMBL3994807 0.80 ADORA1 (0.67) ADORA1MAPTKDM4EALDH1A1MPI

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869360-B Phenylacetamides as ROCK inhibitors 百时美施贵宝公司 2023-12-15 CN disclosed
EP-3652164-B1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2023-06-21 EP disclosed
US-11306081-B2 Phenylacetamides as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-19 US disclosed
US-20210147407-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
EP-3652164-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2020-05-20 EP disclosed
CN-110869360-A Phenylacetamides as ROCK inhibitors 百时美施贵宝公司 2020-03-06 CN disclosed
US-10472315-B2 Inhibitors of methionine aminopeptidases and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2019-11-12 US disclosed
WO-2019014300-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-17 WO disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
EP-2493866-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120196852-A1 INHIBITORS OF METHIONINE AMINOPEPTIDASES AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2012-08-02 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
EP-1283832-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090092-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120196852-A1 INHIBITORS OF METHIONINE AMINOPEPTIDASES AND METHODS OF TREATING DISORDERS METAP1, METAP2, ENPEP ADORA1 2941/4885MAPT 1551/4885KDM4E 3317/4885
US-20210147407-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK MYLK, ROCK1, ROCK2 ADORA1 2686/4885MAPT 121/4885KDM4E 1159/4885
US-11306081-B2 Phenylacetamides as inhibitors of rock MYLK, ROCK1, ROCK2 ADORA1 2686/4885MAPT 121/4885KDM4E 1159/4885
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R ADORA1 151/4885MAPT 4716/4885KDM4E 3800/4885
US-10472315-B2 Inhibitors of methionine aminopeptidases and methods of treating disorders METAP1, METAP2, ENPEP ADORA1 2941/4885MAPT 1551/4885KDM4E 3317/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.